4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

C17H12Cl2N4O3 — CID 109093352

IUPAC4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)no1
InChIInChI=1S/C17H12Cl2N4O3/c1-9-6-15(23-26-9)22-17(25)14-7-10(4-5-20-14)16(24)21-11-2-3-12(18)13(19)8-11/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyYPYOAYKFWYBMOU-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.19
Rot. Bonds4

About 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109093352) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109093352
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC Name4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)no1
InChIInChI=1S/C17H12Cl2N4O3/c1-9-6-15(23-26-9)22-17(25)14-7-10(4-5-20-14)16(24)21-11-2-3-12(18)13(19)8-11/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyYPYOAYKFWYBMOU-UHFFFAOYSA-N
XLogP4.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093229
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092499
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109086668
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109080854
N-(3,4-dichlorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164919
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (CID 109093352) is 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is Cc1cc(NC(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)no1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is YPYOAYKFWYBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c1-9-6-15(23-26-9)22-17(25)14-7-10(4-5-20-14)16(24)21-11-2-3-12(18)13(19)8-11/h2-8H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 391.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).